SCHEMBL18538180

SCHEMBL18538180

CN1CCCC12CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12405033 0.83 BRD4 (0.37) BRD4BRD2
SCHEMBL12028831 0.76 — —
SCHEMBL12028834 0.74 CYP2C9 (0.31) —
SCHEMBL27046535 0.73 GRIN1 (0.41) BRD4BRD2
SCHEMBL12405058 0.72 GPBAR1 (0.33) BRD4BRD2
SCHEMBL12658967 0.71 GRIN1 (0.33) BRD4BRD2
SCHEMBL12658975 0.71 GRIN1 (0.38) BRD4BRD2
SCHEMBL12028851 0.70 SLC6A9 (0.34) —
SCHEMBL16750986 0.68 GRIN1 (0.36) —
SCHEMBL16751010 0.68 GRIN1 (0.38) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049845-A1 METHODS OF TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, AUTISM, OR OTHER DISORDERS INNOVIVA TRC HOLDINGS LLC 2017-02-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170049845-A1 METHODS OF TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, AUTISM, OR OTHER DISORDERS GRIN2A, GRIN3A, GRIN1 BRD4 2452/4885BRD2 2652/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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